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Compound Detail

CHEMBL4168647

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C/C1=C/[C@@H](O)[C@@H]2C(C)C(=O)O[C@H]2C/C(CO)=C\CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4168647
Phase Preclinical
Structure Type MOL
InChI Key UHJKINURUMDUOJ-NPMVWJTBSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
1.57
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H22O4
MW 266.34
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 2.93

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
29244495 10.1021/acs.jnatprod.7b00747 Trypanosoma brucei rhodesiense 1
29244495 10.1021/acs.jnatprod.7b00747 L6 1
29244495 10.1021/acs.jnatprod.7b00747 Unchecked 1

Data from ChEMBL 36 via Core Engine